SCHEMBL784119

SCHEMBL784119

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C3CCOCC3)CC4)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
WDR5 P61964 1/20 0.39
F2 P00734 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
POLB P06746 1/20 0.35
PIK3CD O00329 3/20 0.35
DRD2 P14416 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CTSS P25774 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
PDE4B Q07343 1/20 0.33
PIK3CA P42336 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL784620 0.93 WDR5 (0.42) F10WDR5F2PLATKLKB1
SCHEMBL784555 0.91 NAMPT (0.38) F10POLBDRD2JAK2JAK1
SCHEMBL785875 0.86 MCHR1 (0.39) F10WDR5POLBDRD2JAK2
SCHEMBL785264 0.85 TLR9 (0.41) F10WDR5POLBDRD2CTSS
SCHEMBL784410 0.84 POLB (0.41) F10WDR5POLBDRD2CTSS
SCHEMBL785770 0.84 USP2 (0.40) WDR5POLBDRD2JAK2JAK1
SCHEMBL785422 0.84 F10 (0.40) F10WDR5F2PLATKLKB1
SCHEMBL785143 0.84 TSHR (0.45) F10WDR5F2PLATKLKB1
SCHEMBL784304 0.84 POLB (0.42) F10WDR5POLBCTSS
SCHEMBL784804 0.83 F10 (0.41) F10WDR5F2PLATKLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885WDR5 2611/4885F2 455/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.